8EZI
A tethered niacin-derived pincer complex with a nickel-carbon bond in lactate racemase R98A/R100A variant modeled with separated sulfite and NPN
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | B | Lactate racemase | polymer | 433 | 47153.3 | 1 | UniProt (F9USS9) Pfam (PF09861) Pfam (PF21113) In PDB | Lactiplantibacillus plantarum WCFS1 | Lar,Lactate racemization operon protein LarA |
| 2 | B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 5 | Chemie (EDO) | |||
| 3 | B | SULFITE ION | non-polymer | 80.1 | 1 | Chemie (SO3) | |||
| 4 | B | 3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium | non-polymer | 396.4 | 1 | Chemie (4EY) | |||
| 5 | B | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 6 | B | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 7 | B | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 8 | B | NICKEL (II) ION | non-polymer | 58.7 | 1 | Chemie (NI) | |||
| 9 | water | water | 18.0 | 209 | Chemie (HOH) |
Sequence modifications
B: 2 - 424 (UniProt: F9USS9)
| PDB | External Database | Details |
|---|---|---|
| Ser 1 | - | expression tag |
| Ala 98 | Arg 98 | engineered mutation |
| Ala 100 | Arg 100 | engineered mutation |
| Ala 425 | - | expression tag |
| Ser 426 | - | expression tag |
| Trp 427 | - | expression tag |
| Ser 428 | - | expression tag |
| His 429 | - | expression tag |
| Pro 430 | - | expression tag |
| Gln 431 | - | expression tag |
| Phe 432 | - | expression tag |
| Glu 433 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 47153.3 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 1080.6 | |
| All* | Total formula weight | 48233.9 |
